smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)Cn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1nc(N)nc2N	ZINC000040943163	205085016	/nfs/dbraw/zinc/08/50/16/205085016.db2.gz	UMNRCQLLGMQBGC-UHFFFAOYSA-N	-1	2	366.318	1.100	1	0		FDAFLM
CC(C)(C)Cn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1nc(N)nc2N	ZINC000040943163	205085019	/nfs/dbraw/zinc/08/50/19/205085019.db2.gz	UMNRCQLLGMQBGC-UHFFFAOYSA-N	-1	2	366.318	1.100	1	0		FDAFLM
Nc1ncnc2cc3c(cc12)ncn3[C@@H]1CO[C@H](CO[P@@](=O)([O-])O)C1	ZINC000005932819	204230470	/nfs/dbraw/zinc/23/04/70/204230470.db2.gz	DLAKXITWKKRIRJ-IUCAKERBSA-N	-1	2	365.286	1.001	1	0		FDAFLM
Nc1ncnc2cc3c(cc12)ncn3[C@@H]1CO[C@H](CO[P@](=O)([O-])O)C1	ZINC000005932819	204230473	/nfs/dbraw/zinc/23/04/73/204230473.db2.gz	DLAKXITWKKRIRJ-IUCAKERBSA-N	-1	2	365.286	1.001	1	0		FDAFLM
CC(C)(C)CCn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000040979105	208278165	/nfs/dbraw/zinc/27/81/65/208278165.db2.gz	AKEFGJICGNWHIY-UHFFFAOYSA-N	-1	2	365.330	1.908	1	0		FDAFLM
CC(C)(C)CCn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000040979105	208278172	/nfs/dbraw/zinc/27/81/72/208278172.db2.gz	AKEFGJICGNWHIY-UHFFFAOYSA-N	-1	2	365.330	1.908	1	0		FDAFLM
CCCCCCc1ccc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000035825529	208138110	/nfs/dbraw/zinc/13/81/10/208138110.db2.gz	ZCVGKIMKEYSBKN-UHFFFAOYSA-O	-1	2	352.284	1.778	1	0		FDAFLM
CCCCCCc1ccc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000035825529	208138116	/nfs/dbraw/zinc/13/81/16/208138116.db2.gz	ZCVGKIMKEYSBKN-UHFFFAOYSA-O	-1	2	352.284	1.778	1	0		FDAFLM
CCCC[C@@H]([NH2+]Cc1c(CO[P@@](=O)([O-])O)cnc(C)c1O)C(=O)[O-]	ZINC000006349815	207137045	/nfs/dbraw/zinc/13/70/45/207137045.db2.gz	NHVFCSUYJRWFNW-GFCCVEGCSA-N	-1	2	362.319	1.438	1	0	in-vivo	FDAFLM
CCCC[C@@H]([NH2+]Cc1c(CO[P@](=O)([O-])O)cnc(C)c1O)C(=O)[O-]	ZINC000006349815	207137050	/nfs/dbraw/zinc/13/70/50/207137050.db2.gz	NHVFCSUYJRWFNW-GFCCVEGCSA-N	-1	2	362.319	1.438	1	0	in-vivo	FDAFLM
O=C([O-])C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1	ZINC000101933655	222287354	/nfs/dbraw/zinc/28/73/54/222287354.db2.gz	LDPKAEVQERYMBA-UHFFFAOYSA-N	-1	2	359.359	1.885	1	0		FDAFLM
CC(C)(C)Cn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000001908236	210375380	/nfs/dbraw/zinc/37/53/80/210375380.db2.gz	FNRCWALNVIZCTJ-UHFFFAOYSA-N	-1	2	351.303	1.518	1	0		FDAFLM
CC(C)(C)Cn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000001908236	210375381	/nfs/dbraw/zinc/37/53/81/210375381.db2.gz	FNRCWALNVIZCTJ-UHFFFAOYSA-N	-1	2	351.303	1.518	1	0		FDAFLM
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@@H+](Cc1ccncc1)C2	ZINC000013491482	211035628	/nfs/dbraw/zinc/03/56/28/211035628.db2.gz	XUGANLGVQLASCQ-UHFFFAOYSA-N	-1	2	361.379	1.423	1	0		FDAFLM
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@H+](Cc1ccncc1)C2	ZINC000013491482	211035631	/nfs/dbraw/zinc/03/56/31/211035631.db2.gz	XUGANLGVQLASCQ-UHFFFAOYSA-N	-1	2	361.379	1.423	1	0		FDAFLM
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@@H+](Cc1ccccn1)C2	ZINC000013491480	220070129	/nfs/dbraw/zinc/07/01/29/220070129.db2.gz	RYJQIVLCRVQLAY-UHFFFAOYSA-N	-1	2	361.379	1.423	1	0		FDAFLM
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@H+](Cc1ccccn1)C2	ZINC000013491480	220070132	/nfs/dbraw/zinc/07/01/32/220070132.db2.gz	RYJQIVLCRVQLAY-UHFFFAOYSA-N	-1	2	361.379	1.423	1	0		FDAFLM
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@@H+](Cc1cccnc1)C2	ZINC000013491481	220069930	/nfs/dbraw/zinc/06/99/30/220069930.db2.gz	CPBBXECXUZCULL-UHFFFAOYSA-N	-1	2	361.379	1.423	1	0		FDAFLM
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@H+](Cc1cccnc1)C2	ZINC000013491481	220069933	/nfs/dbraw/zinc/06/99/33/220069933.db2.gz	CPBBXECXUZCULL-UHFFFAOYSA-N	-1	2	361.379	1.423	1	0		FDAFLM
Nc1nc2c(cnn2CCCCCCC(F)(F)[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000013604171	581100348	/nfs/dbraw/zinc/10/03/48/581100348.db2.gz	FTKHQGLMGNXAPK-UHFFFAOYSA-N	-1	2	365.277	1.835	1	0		FDAFLM
Nc1nc2c(cnn2CCCCCCC(F)(F)[P@](=O)([O-])O)c(=O)[nH]1	ZINC000013604171	581100349	/nfs/dbraw/zinc/10/03/49/581100349.db2.gz	FTKHQGLMGNXAPK-UHFFFAOYSA-N	-1	2	365.277	1.835	1	0		FDAFLM
Nc1ncnc2cc3c(cc12)ncn3[C@H]1CC[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000005932818	207123173	/nfs/dbraw/zinc/12/31/73/207123173.db2.gz	FKUJEOXYNOPVAB-ISVAXAHUSA-N	-1	2	365.286	1.349	1	0		FDAFLM
Nc1ncnc2cc3c(cc12)ncn3[C@H]1CC[C@@H](CO[P@](=O)([O-])O)O1	ZINC000005932818	207123178	/nfs/dbraw/zinc/12/31/78/207123178.db2.gz	FKUJEOXYNOPVAB-ISVAXAHUSA-N	-1	2	365.286	1.349	1	0		FDAFLM